4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

C16H16N4OS2 — CID 97313604

IUPAC4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cc1ccsc1
InChIInChI=1S/C16H16N4OS2/c1-10(8-12-4-7-22-9-12)19-15(21)13-11(2)20-16(23-13)14-17-5-3-6-18-14/h3-7,9-10H,8H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyBMDNJRHQWIHQBD-SNVBAGLBSA-N
MW344.47 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97313604) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID97313604
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cc1ccsc1
InChIInChI=1S/C16H16N4OS2/c1-10(8-12-4-7-22-9-12)19-15(21)13-11(2)20-16(23-13)14-17-5-3-6-18-14/h3-7,9-10H,8H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyBMDNJRHQWIHQBD-SNVBAGLBSA-N
XLogP3.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119368319
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26361552
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 26648334
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 97313604) is 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cc1ccsc1.
What is the InChIKey of 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BMDNJRHQWIHQBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10(8-12-4-7-22-9-12)19-15(21)13-11(2)20-16(23-13)14-17-5-3-6-18-14/h3-7,9-10H,8H2,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97313604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).